CID 1485410

478080-09-0

Structural Information

Molecular Formula
C9H5N3OS
SMILES
C1=CC(=CC=C1C#N)OC2=CN=NS2
InChI
InChI=1S/C9H5N3OS/c10-5-7-1-3-8(4-2-7)13-9-6-11-12-14-9/h1-4,6H
InChIKey
QCSMLUJOUIXVDV-UHFFFAOYSA-N
Compound name
4-(thiadiazol-5-yloxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.01534 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.02262 143.6
[M+Na]+ 226.00456 155.7
[M-H]- 202.00806 147.4
[M+NH4]+ 221.04916 160.3
[M+K]+ 241.97850 151.8
[M+H-H2O]+ 186.01260 129.2
[M+HCOO]- 248.01354 159.3
[M+CH3COO]- 262.02919 155.5
[M+Na-2H]- 223.99001 147.0
[M]+ 203.01479 141.2
[M]- 203.01589 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.